Calculation of Vibrational Circular Dichroism Spectra Employing Nuclear Velocity Perturbation or Magnetic Field Perturbation Theory Using an Atomic-Orbital-Based Linear Response Approach. [PDF]
Kumar R, Luber S.
europepmc +1 more source
Mineral Deposition From Liquid Precursors Triggered by Complementary Polyelectrolytes
Polyelectrolyte additives can delay or prevent crystal nucleation in supersaturated solutions of insoluble mineral salts such as calcium carbonate. This work reports that adding a second, oppositely‐charged polyelectrolyte leads to immediate mineral crystallization from such metastable solutions.
Mohammed Kayes Patoary +6 more
wiley +1 more source
Perturbation-theory machine learning for mood disorders: virtual design of dual inhibitors of NET and SERT proteins. [PDF]
Kleandrova VV +2 more
europepmc +1 more source
A tubular electrowetting pump moves alternating droplets through a millimeter‐wide channel in discrete, reversible steps, functioning as a fluidic stepper motor. With no moving parts and electrodes insulated from the liquid, it delivers silent, accurate flow. Flexibility allows the pump to be woven directly into textiles for wearable, medical, and soft‐
Robert Hennig, Herbert Shea
wiley +1 more source
Simulation of Vibrational Circular Dichroism Spectra Using Second-Order Møller-Plesset Perturbation Theory and Configuration Interaction Doubles. [PDF]
Shumberger BM, Crawford TD.
europepmc +1 more source
Co‐assembly of rationally designed glycosaminoglycan‐binding peptides with sulfated glycosaminoglycans yields supramolecular hydrogels with tunable mechanics and matrix‐mediated cytokine retention. The glycosaminoglycans thereby act as cofactors, driving a coil‐to‐β‐sheet transition that triggers gelation.
Shirel Veretnik +8 more
wiley +1 more source
A 3D Human Neuron‐on‐Chip Platform to Monitor Neuronal Injury Responses
This study presents a novel 3D Neuron‐on‐Chip model that can maintain human PSC‐derived excitatory prefrontal cortex neurons in 3D hydrogels and can be used to monitor neuronal injury responses over time. Results show injury‐induced acute neuronal excitotoxicity, declining neuronal connectivity, and the activation of a neurodegenerative, SASP‐like ...
Ruiping Tang +16 more
wiley +1 more source
Simulation of Linear and Cyclic Alkanes with Second-Order Møller-Plesset Perturbation Theory through Adaptive Force Matching. [PDF]
Nikitin A, Wang F.
europepmc +1 more source
This study presents a bioengineered assembloid (ASM) system combining glioblastoma (GBM) cells in oxidized alginate (OA) microgels with dorsal organoids (DOs). This model simulates brain tumor‐host interactions, revealing enhanced GBM invasion, altered gene expression, and aggressive infiltration patterns, demonstrating ASM as a valuable platform for ...
Chao Liang +17 more
wiley +1 more source
Second-harmonic generation tensors from high-throughput density-functional perturbation theory. [PDF]
Trinquet V +6 more
europepmc +1 more source

